5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

C9H12N4OS2 — CID 47147490

IUPAC5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2nnc(C)s2)n1
InChIInChI=1S/C9H12N4OS2/c1-3-4-7-10-8(14-13-7)5-15-9-12-11-6(2)16-9/h3-5H2,1-2H3
InChIKeyREGNXGIXIQDSHG-UHFFFAOYSA-N
MW256.36 g/mol
LogP2.47
Rot. Bonds5

About 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 47147490) has the molecular formula C9H12N4OS2 and a molecular weight of 256.36 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID47147490
Molecular FormulaC9H12N4OS2
Molecular Weight256.36 g/mol
Exact Mass256.05
IUPAC Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2nnc(C)s2)n1
InChIInChI=1S/C9H12N4OS2/c1-3-4-7-10-8(14-13-7)5-15-9-12-11-6(2)16-9/h3-5H2,1-2H3
InChIKeyREGNXGIXIQDSHG-UHFFFAOYSA-N
XLogP2.47
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (CID 47147490) is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CSc2nnc(C)s2)n1.
What is the InChIKey of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is REGNXGIXIQDSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS2/c1-3-4-7-10-8(14-13-7)5-15-9-12-11-6(2)16-9/h3-5H2,1-2H3.
What are the key properties of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 256.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 47147490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).